CID 5279369

Schembl642588

Structural Information

Molecular Formula
C22H15F2N3O2
SMILES
C1=CC=C(C=C1)C2=NC(C(=O)NC3=CC=CC=C32)NC(=O)C4=C(C=CC=C4F)F
InChI
InChI=1S/C22H15F2N3O2/c23-15-10-6-11-16(24)18(15)21(28)27-20-22(29)25-17-12-5-4-9-14(17)19(26-20)13-7-2-1-3-8-13/h1-12,20H,(H,25,29)(H,27,28)
InChIKey
GROBWBSHQSNNJS-UHFFFAOYSA-N
Compound name
2,6-difluoro-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

391.11322 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.12050 191.2
[M+Na]+ 414.10244 198.7
[M-H]- 390.10594 196.9
[M+NH4]+ 409.14704 199.1
[M+K]+ 430.07638 196.1
[M+H-H2O]+ 374.11048 179.7
[M+HCOO]- 436.11142 206.6
[M+CH3COO]- 450.12707 199.2
[M+Na-2H]- 412.08789 193.5
[M]+ 391.11267 184.4
[M]- 391.11377 184.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe